5-bromo-N-[2-(4-fluorophenyl)-2-methoxyethyl]-N-methylthiophene-2-sulfonamide

C14H15BrFNO3S2 — CID 21098652

IUPAC5-bromo-N-[2-(4-fluorophenyl)-2-methoxyethyl]-N-methylthiophene-2-sulfonamide
SMILESCOC(CN(C)S(=O)(=O)c1ccc(Br)s1)c1ccc(F)cc1
InChIInChI=1S/C14H15BrFNO3S2/c1-17(22(18,19)14-8-7-13(15)21-14)9-12(20-2)10-3-5-11(16)6-4-10/h3-8,12H,9H2,1-2H3
InChIKeyJGTBPTHVBONSFP-UHFFFAOYSA-N
MW408.31 g/mol
LogP3.66
Rot. Bonds6

About 5-bromo-N-[2-(4-fluorophenyl)-2-methoxyethyl]-N-methylthiophene-2-sulfonamide

5-bromo-N-[2-(4-fluorophenyl)-2-methoxyethyl]-N-methylthiophene-2-sulfonamide (PubChem CID 21098652) has the molecular formula C14H15BrFNO3S2 and a molecular weight of 408.31 g/mol. Its IUPAC name is 5-bromo-N-[2-(4-fluorophenyl)-2-methoxyethyl]-N-methylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-[2-(4-fluorophenyl)-2-methoxyethyl]-N-methylthiophene-2-sulfonamide
PubChem CID21098652
Molecular FormulaC14H15BrFNO3S2
Molecular Weight408.31 g/mol
Exact Mass406.97
IUPAC Name5-bromo-N-[2-(4-fluorophenyl)-2-methoxyethyl]-N-methylthiophene-2-sulfonamide
SMILESCOC(CN(C)S(=O)(=O)c1ccc(Br)s1)c1ccc(F)cc1
InChIInChI=1S/C14H15BrFNO3S2/c1-17(22(18,19)14-8-7-13(15)21-14)9-12(20-2)10-3-5-11(16)6-4-10/h3-8,12H,9H2,1-2H3
InChIKeyJGTBPTHVBONSFP-UHFFFAOYSA-N
XLogP3.66
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.31
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(4-fluorophenyl)-2-methoxyethyl]-N-methylthiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-[2-(4-fluorophenyl)-2-methoxyethyl]-N-methylthiophene-2-sulfonamide (CID 21098652) is 5-bromo-N-[2-(4-fluorophenyl)-2-methoxyethyl]-N-methylthiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-[2-(4-fluorophenyl)-2-methoxyethyl]-N-methylthiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-[2-(4-fluorophenyl)-2-methoxyethyl]-N-methylthiophene-2-sulfonamide is COC(CN(C)S(=O)(=O)c1ccc(Br)s1)c1ccc(F)cc1.
What is the InChIKey of 5-bromo-N-[2-(4-fluorophenyl)-2-methoxyethyl]-N-methylthiophene-2-sulfonamide?
The InChIKey is JGTBPTHVBONSFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFNO3S2/c1-17(22(18,19)14-8-7-13(15)21-14)9-12(20-2)10-3-5-11(16)6-4-10/h3-8,12H,9H2,1-2H3.
What are the key properties of 5-bromo-N-[2-(4-fluorophenyl)-2-methoxyethyl]-N-methylthiophene-2-sulfonamide?
5-bromo-N-[2-(4-fluorophenyl)-2-methoxyethyl]-N-methylthiophene-2-sulfonamide has a molecular weight of 408.31 g/mol, XLogP of 3.66, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(4-fluorophenyl)-2-methoxyethyl]-N-methylthiophene-2-sulfonamide is sourced from PubChem (CID 21098652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).